N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide

C12H20N2O3S — CID 63690066

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)C(C)(C)C)cc1N
InChIInChI=1S/C12H20N2O3S/c1-12(2,3)18(15,16)14-8-9-5-6-11(17-4)10(13)7-9/h5-7,14H,8,13H2,1-4H3
InChIKeyHGDBTPMUBQMZPF-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.50
Rot. Bonds4

About N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide

N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide (PubChem CID 63690066) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide
PubChem CID63690066
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)C(C)(C)C)cc1N
InChIInChI=1S/C12H20N2O3S/c1-12(2,3)18(15,16)14-8-9-5-6-11(17-4)10(13)7-9/h5-7,14H,8,13H2,1-4H3
InChIKeyHGDBTPMUBQMZPF-UHFFFAOYSA-N
XLogP1.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline
CID 114814135
N-[(3-amino-4-methoxyphenyl)methyl]-3-methylbutane-1-sulfonamide
CID 55259376
N-[(3,4-dimethoxyphenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 138550874
N-[(3-amino-4-methoxyphenyl)methyl]-2,2-dimethylbutanamide
CID 62678934
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714
N-[[4-(bromomethyl)phenyl]methyl]-2-methylpropane-2-sulfonamide
CID 107233970
3-amino-N-[(3-bromophenyl)methyl]-4-methoxybenzenesulfonamide
CID 61400840
6-[(3-amino-4-methoxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60971623
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide
CID 55031718
5-(fluoromethyl)-2-methoxyaniline
CID 84650155
N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 62735303

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide (CID 63690066) is N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide is COc1ccc(CNS(=O)(=O)C(C)(C)C)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide?
The InChIKey is HGDBTPMUBQMZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-12(2,3)18(15,16)14-8-9-5-6-11(17-4)10(13)7-9/h5-7,14H,8,13H2,1-4H3.
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide?
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63690066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).